Geometry & MOs

Info

ID:	356522
PubChem CID:	127291669
Reduced:	OSN5C20H25 (1)
Stoich.:	ABC5D20E25 (1)
Weight, g/mol:	315.149538
ΔH_f, kcal/mol:	42.76
Dipole, Da:	4.5
IP(EA), eV:	-8.82(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(2-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CC1CCN(C2=CC=CC=C2S1)C(=O)CN3CCN4C(=NN=C4C5CC5)C3

DOS

IR

Vibrations